Registration Dossier

Administrative data

Endpoint:
distribution modelling
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Accepted calculation method

Data source

Reference
Reference Type:
other: Mackay level I calculation
Title:
Distribution modelling of CAS 143-07-7
Author:
Dr. Knoell consult GmbH
Year:
2010
Bibliographic source:
Level 1 Fugacity-Based Environmental Equilibrium Partitioning Model, Trent University (2004), V3.00. Based on: Mackay, D. 2001. Multimedia Environmental Models: The Fugacity Approach-Second Edition. Lewis Publishers., Boca Raton, pp. 1-261
Report Date:
2010

Materials and methods

Model:
calculation according to Mackay, Level I
Calculation programme:
Level 1 - Fugacity-Based Environmental Equilibrium Partitioning Model (Trent University (2004), v3.00)
Release year:
2 004
Media:
air - biota - sediment(s) - soil - water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
- Chemical Type: 1
- Molecular weight: 200.32 g/mol
- Data temperature: 25 °C
- Water solubility: 4.81 mg/L
- Vapour pressure: 0.002 Pa
- Melting point: 43 °C
- log Kow: 5.00

Results and discussion

Percent distribution in media

Air (%):
0.17
Water (%):
5.89
Soil (%):
46.5
Sediment (%):
47.1
Susp. sediment (%):
0.302
Biota (%):
0.029
Aerosol (%):
0.007

Any other information on results incl. tables

Table 1: Distribution of octanoic acid in the environment

Compartment Z Value [mol/m³ Pa] VZ [mol/pa] Concentration [mol/m³] Amount [%]
Air 0.000403 2420000 0.000000141 0.170
Aerosol 803000 96389 281 0.000675
Water 12.0 84000000 0.0042 5.89
Suspended particles 123000 4320000 43.1 0.302
Fish 60029 420000 21.0 0.0294
Soil 14767 665000000 5.16 46.5
Sediment 31995 672000000 11.2 47.1
Total  - 1430000000  - 100

Fugacity: 0.00035 Pa

Based on the level I modell the majority of the substance is calculated to partition into soil and sediment.

Applicant's summary and conclusion